4ME
Summary
| Name: | methyl 1H-indole-4-carboxylate |
| Formula: | C10 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 175.184 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 1H-indole-4-carboxylate |
| OpenEye OEToolkits | 1.9.2 | methyl 1H-indole-4-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)c1cccc2c1ccn2 |
| InChI | InChI | 1.03 | InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-4-9-7(8)5-6-11-9/h2-6,11H,1H3 |
| InChIKey | InChI | 1.03 | WEAXQUBYRSEBJD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1cccc2[nH]ccc12 |
| SMILES | CACTVS | 3.385 | COC(=O)c1cccc2[nH]ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COC(=O)c1cccc2c1cc[nH]2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | COC(=O)c1cccc2c1cc[nH]2 |
